Modeling

To better understand structure-property relations of our synthesized monodispersed nanoparticles, we couple experimental data with atomistic modeling. We employ a variety of techniques to study atomic packing within nanoparticles, magnetic properties, X-ray diffraction, absorption spectra, etc. Some simulation programs are tailored, in-house Python and Perl scripts while other simulations require more robust packages such as COMSOL, Materials Studio, and FDTD. The computational feedback loop helps us design a library of materials to be used as building blocks for the variety of the aforementioned applications.